N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine

C13H23NO2 — CID 102653179

IUPACN-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)C1COC(C)C1
InChIInChI=1S/C13H23NO2/c1-3-6-14-13(12-5-4-7-15-12)11-8-10(2)16-9-11/h5,10-11,13-14H,3-4,6-9H2,1-2H3
InChIKeyZRHUGQRBIZPFNP-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.08
Rot. Bonds5

About N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine

N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 102653179) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
PubChem CID102653179
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)C1COC(C)C1
InChIInChI=1S/C13H23NO2/c1-3-6-14-13(12-5-4-7-15-12)11-8-10(2)16-9-11/h5,10-11,13-14H,3-4,6-9H2,1-2H3
InChIKeyZRHUGQRBIZPFNP-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851784
[3,4-dihydro-2H-pyran-6-yl-(5-methyloxolan-3-yl)methyl]hydrazine
CID 102650408
N-[(4-fluoro-2,6-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106878990
N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825356
N-[(5-methyloxolan-3-yl)-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 114825144
N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102652109
N-[(5-methyloxolan-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 115809309
N-[(5-methyloxolan-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105023309
N-[(2,5-dibromo-4-methylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825362
N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018423
N-[3,4-dihydro-2H-chromen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647613
N-[(3-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106648226

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine (CID 102653179) is N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine is CCCNC(C1=CCCO1)C1COC(C)C1.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is ZRHUGQRBIZPFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-6-14-13(12-5-4-7-15-12)11-8-10(2)16-9-11/h5,10-11,13-14H,3-4,6-9H2,1-2H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine?
N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 102653179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).